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.. | ||
ASSUMPTIONS.rst | ||
generators.irp.f | ||
Makefile | ||
NEEDED_CHILDREN_MODULES | ||
README.rst |
====================== Generators_full Module ====================== All the determinants of the wave function are generators. In this way, the Full CI space is explored. Documentation ============= .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. `degree_max_generators <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L43>`_ Max degree of excitation (respect to HF) of the generators `n_det_generators <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L3>`_ For Single reference wave functions, the number of generators is 1 : the Hartree-Fock determinant `psi_coef_generators <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L26>`_ For Single reference wave functions, the generator is the Hartree-Fock determinant `psi_det_generators <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L25>`_ For Single reference wave functions, the generator is the Hartree-Fock determinant `select_max <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L66>`_ Memo to skip useless selectors `size_select_max <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L58>`_ Size of the select_max array Needed Modules ============== .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. * `Determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants>`_ * `Hartree_Fock <http://github.com/LCPQ/quantum_package/tree/master/src/Hartree_Fock>`_